2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide

C15H17N5OS — CID 110450887

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(CN)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5OS/c1-9(15-19-11-4-2-3-5-12(11)20-15)17-13(21)6-10-8-22-14(7-16)18-10/h2-5,8-9H,6-7,16H2,1H3,(H,17,21)(H,19,20)
InChIKeyACGOEQIJDVUGHV-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 110450887) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID110450887
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(CN)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5OS/c1-9(15-19-11-4-2-3-5-12(11)20-15)17-13(21)6-10-8-22-14(7-16)18-10/h2-5,8-9H,6-7,16H2,1H3,(H,17,21)(H,19,20)
InChIKeyACGOEQIJDVUGHV-UHFFFAOYSA-N
XLogP1.90
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 75136988
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide (CID 110450887) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide is CC(NC(=O)Cc1csc(CN)n1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is ACGOEQIJDVUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9(15-19-11-4-2-3-5-12(11)20-15)17-13(21)6-10-8-22-14(7-16)18-10/h2-5,8-9H,6-7,16H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110450887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).